N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine

C10H18N2 — CID 138703021

IUPACN-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine
SMILESC=C/C(=C\C(C)=N/NC)C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(8(2)3)7-9(4)12-11-5/h6-8,11H,1H2,2-5H3/b10-7+,12-9-
InChIKeyIXWXRFHOWOBIKB-MLLAUDNSSA-N
MW166.27 g/mol
LogP2.35
Rot. Bonds4

About N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine

N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine (PubChem CID 138703021) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine
PubChem CID138703021
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine
SMILESC=C/C(=C\C(C)=N/NC)C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(8(2)3)7-9(4)12-11-5/h6-8,11H,1H2,2-5H3/b10-7+,12-9-
InChIKeyIXWXRFHOWOBIKB-MLLAUDNSSA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine (CID 138703021) is N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine is C=C/C(=C\C(C)=N/NC)C(C)C.
What is the InChIKey of N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine?
The InChIKey is IXWXRFHOWOBIKB-MLLAUDNSSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-10(8(2)3)7-9(4)12-11-5/h6-8,11H,1H2,2-5H3/b10-7+,12-9-.
What are the key properties of N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine?
N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine has a molecular weight of 166.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3Z)-4-propan-2-ylhexa-3,5-dien-2-ylidene]amino]methanamine is sourced from PubChem (CID 138703021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).